(2E,4E)-16-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hexadeca-2,4-dienamide
| Internal ID | dc168f1f-8f2c-4ba3-9a37-b8de49f93751 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | (2E,4E)-16-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hexadeca-2,4-dienamide |
| SMILES (Canonical) | CC(C)CNC(=O)C=CC=CCCCCCCCCCCCC1=CC2=C(C=C1)OCO2 |
| SMILES (Isomeric) | CC(C)CNC(=O)/C=C/C=C/CCCCCCCCCCCC1=CC2=C(C=C1)OCO2 |
| InChI | InChI=1S/C27H41NO3/c1-23(2)21-28-27(29)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-24-18-19-25-26(20-24)31-22-30-25/h11,13,15,17-20,23H,3-10,12,14,16,21-22H2,1-2H3,(H,28,29)/b13-11+,17-15+ |
| InChI Key | FEZQSZONRKTTRN-SBLPRGNDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H41NO3 |
| Molecular Weight | 427.60 g/mol |
| Exact Mass | 427.30864417 g/mol |
| Topological Polar Surface Area (TPSA) | 47.60 Ų |
| XlogP | 8.90 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.17% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.71% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.16% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 97.83% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.17% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.40% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.40% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.06% | 96.77% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 91.42% | 80.96% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.54% | 90.71% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.46% | 90.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.15% | 96.00% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 88.00% | 92.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.67% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.17% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.10% | 95.56% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 84.10% | 89.33% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.82% | 85.31% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.54% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.27% | 89.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.58% | 85.30% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.40% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.21% | 96.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.84% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Piper mullesua |
| PubChem | 5315492 |
| LOTUS | LTS0120306 |
| wikiData | Q104994294 |